tert-butyl 3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-piperidin-1-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;3-chloro-4-fluoroaniline;2-(3-chloro-4-fluorophenyl)-1-(3-piperidin-1-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone;piperidine;3-piperidin-1-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

C68H98Cl2F2IN17O5 — CID 159375475

About tert-butyl 3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-piperidin-1-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;3-chloro-4-fluoroaniline;2-(3-chloro-4-fluorophenyl)-1-(3-piperidin-1-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone;piperidine;3-piperidin-1-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

tert-butyl 3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-piperidin-1-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;3-chloro-4-fluoroaniline;2-(3-chloro-4-fluorophenyl)-1-(3-piperidin-1-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone;piperidine;3-piperidin-1-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine (PubChem CID 159375475) has the molecular formula C68H98Cl2F2IN17O5 and a molecular weight of 1469.45 g/mol. Its IUPAC name is tert-butyl 3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-piperidin-1-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;3-chloro-4-fluoroaniline;2-(3-chloro-4-fluorophenyl)-1-(3-piperidin-1-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone;piperidine;3-piperidin-1-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine.

Molecular Properties

• Compound Name: tert-butyl 3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-piperidin-1-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;3-chloro-4-fluoroaniline;2-(3-chloro-4-fluorophenyl)-1-(3-piperidin-1-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone;piperidine;3-piperidin-1-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
• PubChem CID: 159375475
• Molecular Formula: C68H98Cl2F2IN17O5
• Molecular Weight: 1469.45 g/mol
• Exact Mass: 1467.63
• IUPAC Name: tert-butyl 3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-piperidin-1-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;3-chloro-4-fluoroaniline;2-(3-chloro-4-fluorophenyl)-1-(3-piperidin-1-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone;piperidine;3-piperidin-1-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
• SMILES: C1CCNCC1.CC(C)(C)OC(=O)N1CCn2ncc(I)c2C1.CC(C)(C)OC(=O)N1CCn2ncc(N3CCCCC3)c2C1.Nc1ccc(F)c(Cl)c1.O=C(Cc1ccc(F)c(Cl)c1)N1CCn2ncc(N3CCCCC3)c2C1.c1nn2c(c1N1CCCCC1)CNCC2
• InChI: InChI=1S/C19H22ClFN4O.C16H26N4O2.C11H16IN3O2.C11H18N4.C6H5ClFN.C5H11N/c20-15-10-14(4-5-16(15)21)11-19(26)24-8-9-25-18(13-24)17(12-22-25)23-6-2-1-3-7-23;1-16(2,3)22-15(21)19-9-10-20-14(12-19)13(11-17-20)18-7-5-4-6-8-18;1-11(2,3)17-10(16)14-4-5-15-9(7-14)8(12)6-13-15;1-2-5-14(6-3-1)10-9-13-15-7-4-12-8-11(10)15;7-5-3-4(9)1-2-6(5)8;1-2-4-6-5-3-1/h4-5,10,12H,1-3,6-9,11,13H2;11H,4-10,12H2,1-3H3;6H,4-5,7H2,1-3H3;9,12H,1-8H2;1-3H,9H2;6H,1-5H2
• InChIKey: LKGJUWJKCTXVMH-UHFFFAOYSA-N
• XLogP: 11.91
• TPSA: 210.47 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 19
• Rotatable Bonds: 5
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1469.45
LogP ≤ 5	11.91
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-piperidin-1-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;3-chloro-4-fluoroaniline;2-(3-chloro-4-fluorophenyl)-1-(3-piperidin-1-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone;piperidine;3-piperidin-1-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?

The IUPAC name of tert-butyl 3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-piperidin-1-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;3-chloro-4-fluoroaniline;2-(3-chloro-4-fluorophenyl)-1-(3-piperidin-1-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone;piperidine;3-piperidin-1-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine (CID 159375475) is tert-butyl 3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-piperidin-1-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;3-chloro-4-fluoroaniline;2-(3-chloro-4-fluorophenyl)-1-(3-piperidin-1-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone;piperidine;3-piperidin-1-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine.

What is the SMILES notation for tert-butyl 3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-piperidin-1-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;3-chloro-4-fluoroaniline;2-(3-chloro-4-fluorophenyl)-1-(3-piperidin-1-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone;piperidine;3-piperidin-1-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?

The canonical SMILES for tert-butyl 3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-piperidin-1-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;3-chloro-4-fluoroaniline;2-(3-chloro-4-fluorophenyl)-1-(3-piperidin-1-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone;piperidine;3-piperidin-1-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine is C1CCNCC1.CC(C)(C)OC(=O)N1CCn2ncc(I)c2C1.CC(C)(C)OC(=O)N1CCn2ncc(N3CCCCC3)c2C1.Nc1ccc(F)c(Cl)c1.O=C(Cc1ccc(F)c(Cl)c1)N1CCn2ncc(N3CCCCC3)c2C1.c1nn2c(c1N1CCCCC1)CNCC2.

What is the InChIKey of tert-butyl 3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-piperidin-1-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;3-chloro-4-fluoroaniline;2-(3-chloro-4-fluorophenyl)-1-(3-piperidin-1-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone;piperidine;3-piperidin-1-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?

The InChIKey is LKGJUWJKCTXVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClFN4O.C16H26N4O2.C11H16IN3O2.C11H18N4.C6H5ClFN.C5H11N/c20-15-10-14(4-5-16(15)21)11-19(26)24-8-9-25-18(13-24)17(12-22-25)23-6-2-1-3-7-23;1-16(2,3)22-15(21)19-9-10-20-14(12-19)13(11-17-20)18-7-5-4-6-8-18;1-11(2,3)17-10(16)14-4-5-15-9(7-14)8(12)6-13-15;1-2-5-14(6-3-1)10-9-13-15-7-4-12-8-11(10)15;7-5-3-4(9)1-2-6(5)8;1-2-4-6-5-3-1/h4-5,10,12H,1-3,6-9,11,13H2;11H,4-10,12H2,1-3H3;6H,4-5,7H2,1-3H3;9,12H,1-8H2;1-3H,9H2;6H,1-5H2.

What are the key properties of tert-butyl 3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-piperidin-1-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;3-chloro-4-fluoroaniline;2-(3-chloro-4-fluorophenyl)-1-(3-piperidin-1-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone;piperidine;3-piperidin-1-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?

tert-butyl 3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-piperidin-1-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;3-chloro-4-fluoroaniline;2-(3-chloro-4-fluorophenyl)-1-(3-piperidin-1-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone;piperidine;3-piperidin-1-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine has a molecular weight of 1469.45 g/mol, XLogP of 11.91, 5 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-piperidin-1-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;3-chloro-4-fluoroaniline;2-(3-chloro-4-fluorophenyl)-1-(3-piperidin-1-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone;piperidine;3-piperidin-1-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 159375475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).